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| Paper IPM / P / 15325 |
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| Abstract: | |||||
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Based on the density functional simulations combined with the Landauer transport theory, the mechanical strain impacts on the chemical bonds of phosphorene and their effects on the electronic transport properties are studied. Moreover, the effect of the tensile strain along the zigzag direction on the charge transport properties of a two-terminal phosphorene device is evaluated.
Enhancement of the intra-planar interactions, in particular between the next-nearest-neighbors in strained phosphorene is found to be essential in the band structure evolution.
The charge transport analyzing shows that phosphorene has a strong piezoconductance sensitivity, which makes this material highly desirable for high-pressure nanoelectromechanical applications.
The piezoconductance gauge factor is calculated to be 46 in 5% tension to 220 in 12% tension which is comparable to state-of-the-art silicon strain sensors. The transmission pathways monitor the current flowing in terms of the chemical bonds and hopping, however, the transport mostly arises from the charge transferring through the chemical bonds.
The strong anisotropy of transport properties along the zigzag and armchair directions is observed.
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